ethyl 5-[[4-azanyl-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[4-azanyl-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-amino-3-(2,6-dimethylphenyl)-2-thioxo-thiazole-5-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-5-thiazolyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-amino-3-(2,6-dimethylphenyl)-2-thioxo-4-thiazoline-5-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C2=C(N(C(=S)S2)C3=C(C=CC=C3C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C2=C(N(C(=S)S2)C3=C(C=CC=C3C)C)N)C

InChI

InChI=1S/C21H23N3O3S2/c1-6-27-20(26)14-12(4)15(23-13(14)5)17(25)18-19(22)24(21(28)29-18)16-10(2)8-7-9-11(16)3/h7-9,23H,6,22H2,1-5H3